SCHEMBL9735977

SCHEMBL9735977

C=C1N(C)c2ccc(Nc3ccccc3)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.44
APP P05067 1/20 0.43
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
AR P10275 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MPI P34949 1/20 0.38
HPGD P15428 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9736052 0.83 PGR (0.41) PGRTDP1MPI
SCHEMBL11561075 0.78 HSPA9 (0.43) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL5850668 0.77 PGR (0.41) PGRMEN1MAPTKMT2ATDP1
SCHEMBL5850314 0.77 PGR (0.41) PGRMEN1MAPTKMT2ATDP1
SCHEMBL11443498 0.77 MPI (0.41) PGRMEN1MAPTKMT2ATDP1
SCHEMBL4603531 0.75 MAPT (0.56) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL9750159 0.73 MPI (0.38) MEN1KMT2ATDP1MPIPDK2
SCHEMBL8942200 0.73 GRIA2 (0.42) TDP1TSHRMAPK1MPIPDK2
SCHEMBL918366 0.73 HTT (0.51) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL8397425 0.73 HTT (0.51) ALDH1A1MEN1MAPTKMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130442-A Compounds for forming color in recording material based on acid developers BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed